Structure of PDB 1e3j Chain A Binding Site BS01

Receptor Information
>1e3j Chain A (length=348) Species: 77855 (Bemisia argentifolii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNLSAVLYKQNDLRLEQRPIPEPKEDEVLLQMAYVGICGSDVHYYEHGRI
ADFIVKDPMVIGHEASGTVVKVGKNVKHLKKGDRVAVEPGVPCRRCQFCK
EGKYNLCPDLTFCATPPDDGNLARYYVHAADFCHKLPDNVSLEEGALLEP
LSVGVHACRRAGVQLGTTVLVIGAGPIGLVSVLAAKAYGAFVVCTARSPR
RLEVAKNCGADVTLVVDPAKEEESSIIERIRSAIGDLPNVTIDCSGNEKC
ITIGINITRTGGTLMLVGMGSQMVTVPLVNACAREIDIKSVFRYCNDYPI
ALEMVASGRCNVKQLVTHSFKLEQTVDAFEAARKKADNTIKVMISCRQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1e3j Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e3j Crystal Structure of Nadp(H)-Dependent Ketose Reductase from Besimia Argentifolii at 2.3 Angstrom Resolution
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C96 C99 C102 C110
Binding residue
(residue number reindexed from 1)		C93 C96 C99 C107
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C41 G42 S43 H46 H66 E67 C96 C99 C102 C110 T114 P153 G157 K344
Catalytic site (residue number reindexed from 1) C38 G39 S40 H43 H63 E64 C93 C96 C99 C107 T111 P150 G154 K341
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003939 L-iditol 2-dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006062 sorbitol catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1e3j, PDBe:1e3j, PDBj:1e3j
PDBsum1e3j
PubMed11237597
UniProtO96496

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